(2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one

C19H19NO2 — CID 68643083

IUPAC(2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one
SMILESCOc1ccccc1/C=C1/CC(c2ccccn2)CCC1=O
InChIInChI=1S/C19H19NO2/c1-22-19-8-3-2-6-15(19)13-16-12-14(9-10-18(16)21)17-7-4-5-11-20-17/h2-8,11,13-14H,9-10,12H2,1H3/b16-13-
InChIKeyFARSLBSYOBOZBU-SSZFMOIBSA-N
MW293.37 g/mol
LogP4.01
Rot. Bonds3

About (2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one

(2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one (PubChem CID 68643083) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name(2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one
PubChem CID68643083
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one
SMILESCOc1ccccc1/C=C1/CC(c2ccccn2)CCC1=O
InChIInChI=1S/C19H19NO2/c1-22-19-8-3-2-6-15(19)13-16-12-14(9-10-18(16)21)17-7-4-5-11-20-17/h2-8,11,13-14H,9-10,12H2,1H3/b16-13-
InChIKeyFARSLBSYOBOZBU-SSZFMOIBSA-N
XLogP4.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one?
The IUPAC name of (2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one (CID 68643083) is (2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one.
What is the SMILES notation for (2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one?
The canonical SMILES for (2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one is COc1ccccc1/C=C1/CC(c2ccccn2)CCC1=O.
What is the InChIKey of (2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one?
The InChIKey is FARSLBSYOBOZBU-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-19-8-3-2-6-15(19)13-16-12-14(9-10-18(16)21)17-7-4-5-11-20-17/h2-8,11,13-14H,9-10,12H2,1H3/b16-13-.
What are the key properties of (2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one?
(2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one has a molecular weight of 293.37 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one is sourced from PubChem (CID 68643083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).